Detailed information for compound 1149193

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 405.489 | Formula: C24H27N3O3
  • H donors: 1 H acceptors: 3 LogP: 2.92 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(c1)C(=O)N(C2=O)Cc1ccccc1C)NCCN1CCCCC1
  • InChi: 1S/C24H27N3O3/c1-17-7-3-4-8-19(17)16-27-23(29)20-10-9-18(15-21(20)24(27)30)22(28)25-11-14-26-12-5-2-6-13-26/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3,(H,25,28)
  • InChiKey: ADSAWZNSDXNSRC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.3439 0.4993
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.102 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.3439 0.3319
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0726 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0019 0.0584 0.0412
Schistosoma mansoni cpg binding protein 0.0066 0.3213 0.3213
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0726 0.0172
Echinococcus multilocularis geminin 0.0187 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.3439 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0726 0.0557
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0369 0.0193
Echinococcus granulosus cpg binding protein 0.0066 0.3213 0.309
Schistosoma mansoni hypothetical protein 0.0012 0.0179 0.0179
Schistosoma mansoni hypothetical protein 0.0187 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0726 0.0294
Echinococcus multilocularis cpg binding protein 0.0066 0.3213 0.309
Brugia malayi CXXC zinc finger family protein 0.0063 0.3013 0.3022
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.102 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0726 0.5
Brugia malayi hypothetical protein 0.0027 0.102 0.0645
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.3439 0.3439
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.102 1
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0726 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.3439 1
Brugia malayi hypothetical protein 0.0167 0.8863 1
Schistosoma mansoni ap endonuclease 0.0022 0.0726 0.0726
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0726 0.0557
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.102 0.0541
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0016 0.0369 0.0369
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.057 0.0107
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.3439 0.3319
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.102 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0119 0.6159 1
Schistosoma mansoni ap endonuclease 0.0022 0.0726 0.0726
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.102 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 0.3439 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.102 1
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.3439 0.3439
Loa Loa (eye worm) hypothetical protein 0.0027 0.102 0.0527
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0726 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0133 0.6956 0.6956
Schistosoma mansoni cpg binding protein 0.0066 0.3213 0.3213
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0726 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0369 0.0193
Schistosoma mansoni cpg binding protein 0.0063 0.3013 0.3013
Loa Loa (eye worm) CXXC zinc finger family protein 0.0063 0.3013 0.2934
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0016 0.0369 0.0193
Echinococcus granulosus mixed lineage leukemia protein mll 0.0016 0.0369 0.0193
Leishmania major hypothetical protein, conserved 0.0027 0.102 0.1083
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0726 0.5
Loa Loa (eye worm) hypothetical protein 0.0167 0.8863 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 0.3439 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0019 0.0584 0.0412
Onchocerca volvulus 0.0167 0.8863 1
Schistosoma mansoni hypothetical protein 0.0187 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.3439 1

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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